6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran

C14H18O — CID 24744561

IUPAC6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran
SMILESCc1ccc(C(C)C2=CCCCO2)cc1
InChIInChI=1S/C14H18O/c1-11-6-8-13(9-7-11)12(2)14-5-3-4-10-15-14/h5-9,12H,3-4,10H2,1-2H3
InChIKeyLHXPOEZALJSWOZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.79
Rot. Bonds2

About 6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran

6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran (PubChem CID 24744561) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran
PubChem CID24744561
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran
SMILESCc1ccc(C(C)C2=CCCCO2)cc1
InChIInChI=1S/C14H18O/c1-11-6-8-13(9-7-11)12(2)14-5-3-4-10-15-14/h5-9,12H,3-4,10H2,1-2H3
InChIKeyLHXPOEZALJSWOZ-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 102649912
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102648818
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 102649042
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 102647649
1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine
CID 102653299
(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647123
1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102648834
2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647531
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanamine
CID 102647873
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
CID 102647204
(E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol
CID 130123097
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanol
CID 102654803

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran (CID 24744561) is 6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran is Cc1ccc(C(C)C2=CCCCO2)cc1.
What is the InChIKey of 6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran?
The InChIKey is LHXPOEZALJSWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11-6-8-13(9-7-11)12(2)14-5-3-4-10-15-14/h5-9,12H,3-4,10H2,1-2H3.
What are the key properties of 6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran?
6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran has a molecular weight of 202.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 24744561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).